Chem
J-GLOBAL ID:200907084912207071   Nikkaji number:J654.160G

2,2′-[[[(1R)-1β-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene]-2,3-diyl]bis(carbonyloxy)]bis[(R)-3-(3,4-dihydroxyphenyl)propionic acid]1-potassium salt

2,2′-[[[(1R)-1β-(3,4-ジヒドロキシフェニル)-6,7-ジヒドロキシ-1,2-ジヒドロナフタレン]-2,3-ジイル]ビス(カルボニルオキシ)]ビス[(R)-3-(3,4-ジヒドロキシフェニル)プロピオン酸]1-カリウム
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C36H29KO16
Molecular formula furigana: C36-H29-K-O16
Molecular weight: 756.710
InChI: InChI=1S/C36H30O16.K/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16;/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48);/q;+1/p-1/t29-,30-,31-,32?;/m1./s1
InChI key: YXYPLLBWBBKVFR-BHOXYWCESA-M
SMILES: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)C1=Cc2cc(O)c(O)cc2[C@H](C1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O[K])c1ccc(O)c(O)c1
Systematic name  (3):
  • 2,2′-[[[(1R)-1β-(3,4-ジヒドロキシフェニル)-6,7-ジヒドロキシ-1,2-ジヒドロナフタレン]-2,3-ジイル]ビス(カルボニルオキシ)]ビス[(R)-3-(3,4-ジヒドロキシフェニル)プロピオン酸]1-カリウム
  • (2R)-3-(3,4-ジヒドロキシフェニル)-2-[(4R)-4-(3,4-ジヒドロキシフェニル)-3-({[(2R)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-1-(ポタッシオオキシ)プロパン-2-イル]オキシ}カルボニル)-6,7-ジヒドロキシ-3,4-ジヒドロナフタレン-2-カルボニルオキシ]プロパン酸
  • (2R)-3-(3,4-dihydroxyphenyl)-2-[(4R)-4-(3,4-dihydroxyphenyl)-3-({[(2R)-3-(3,4-dihydroxyphenyl)-1-oxo-1-(potassiooxy)propan-2-yl]oxy}carbonyl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carbonyloxy]propanoic acid
Other name (1):
  • 2,2′-[[[(1R)-1β-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene]-2,3-diyl]bis(carbonyloxy)]bis[(R)-3-(3,4-dihydroxyphenyl)propionic acid]1-potassium salt
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